[4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone

C29H30Br2N4O3 — CID 22721018

IUPAC[4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
SMILESCCOc1cc(OC)ccc1C1=NC(c2ccc(Br)cc2)C(c2ccc(Br)cc2)N1C(=O)N1CCNCC1
InChIInChI=1S/C29H30Br2N4O3/c1-3-38-25-18-23(37-2)12-13-24(25)28-33-26(19-4-8-21(30)9-5-19)27(20-6-10-22(31)11-7-20)35(28)29(36)34-16-14-32-15-17-34/h4-13,18,26-27,32H,3,14-17H2,1-2H3
InChIKeyJOYLJNQIXZGYBN-UHFFFAOYSA-N
MW642.39 g/mol
LogP6.19
Rot. Bonds6

About [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone

[4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone (PubChem CID 22721018) has the molecular formula C29H30Br2N4O3 and a molecular weight of 642.39 g/mol. Its IUPAC name is [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
PubChem CID22721018
Molecular FormulaC29H30Br2N4O3
Molecular Weight642.39 g/mol
Exact Mass640.07
IUPAC Name[4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
SMILESCCOc1cc(OC)ccc1C1=NC(c2ccc(Br)cc2)C(c2ccc(Br)cc2)N1C(=O)N1CCNCC1
InChIInChI=1S/C29H30Br2N4O3/c1-3-38-25-18-23(37-2)12-13-24(25)28-33-26(19-4-8-21(30)9-5-19)27(20-6-10-22(31)11-7-20)35(28)29(36)34-16-14-32-15-17-34/h4-13,18,26-27,32H,3,14-17H2,1-2H3
InChIKeyJOYLJNQIXZGYBN-UHFFFAOYSA-N
XLogP6.19
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.39
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-bromophenyl)-4-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 161156151
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
CID 10128750
[4,5-bis(4-chlorophenyl)-2-[4-(dimethylamino)-2-ethoxyphenyl]-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
CID 22721070
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
CID 10153050
[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride
CID 22721203
4-[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 22721063
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2,4-diethoxyphenyl)-4,5-dihydroimidazol-1-yl]-morpholin-4-ylmethanone
CID 10218494
[(4R,5S)-5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 162339207
2-[4-[(4S,5R)-4,5-bis(4-bromophenyl)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 11672330
1-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone
CID 24764418
1-[4-[(4S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone
CID 138612020
[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 22721098

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone (CID 22721018) is [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone is CCOc1cc(OC)ccc1C1=NC(c2ccc(Br)cc2)C(c2ccc(Br)cc2)N1C(=O)N1CCNCC1.
What is the InChIKey of [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
The InChIKey is JOYLJNQIXZGYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Br2N4O3/c1-3-38-25-18-23(37-2)12-13-24(25)28-33-26(19-4-8-21(30)9-5-19)27(20-6-10-22(31)11-7-20)35(28)29(36)34-16-14-32-15-17-34/h4-13,18,26-27,32H,3,14-17H2,1-2H3.
What are the key properties of [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
[4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone has a molecular weight of 642.39 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 22721018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).